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4102-38-9

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Basic Information
CAS No.: 4102-38-9
Name: 2,4-DIMETHYL-1-IODO-5-NITROBENZENE
Molecular Structure:
Molecular Structure of 4102-38-9 (2,4-DIMETHYL-1-IODO-5-NITROBENZENE)
Formula: C8H8INO2
Molecular Weight: 277.062
Synonyms: m-Xylene, 4-iodo-6-nitro- (7CI,8CI);4-Iodo-6-nitro-m-xylene;
Density: 1.777 g/cm3
Boiling Point: 314.6 °C at 760 mmHg
Flash Point: 144.1 °C
PSA: 45.82000
LogP: 3.33940
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Specification

The Benzene,1-iodo-2,4-dimethyl-5-nitro- is an organic compound with the formula C8H8INO2. The systematic name of this chemical is 1-iodo-2,4-dimethyl-5-nitrobenzene. With the CAS registry number 4102-38-9, it is also named as 2,4-Dimethyl-1-iodo-5-nitrobenzene.

Physical properties about Benzene,1-iodo-2,4-dimethyl-5-nitro- are: (1)ACD/LogP: 3.86; (2)ACD/LogD (pH 5.5): 3.86; (3)ACD/LogD (pH 7.4): 3.86; (4)ACD/BCF (pH 5.5): 505.5; (5)ACD/BCF (pH 7.4): 505.5; (6)ACD/KOC (pH 5.5): 2998.64; (7)ACD/KOC (pH 7.4): 2998.64; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 45.82 Å2; (11)Index of Refraction: 1.628; (12)Molar Refractivity: 55.35 cm3; (13)Molar Volume: 155.8 cm3; (14)Polarizability: 21.94×10-24cm3; (15)Surface Tension: 49.5 dyne/cm; (16)Density: 1.777 g/cm3; (17)Flash Point: 144.1 °C; (18)Enthalpy of Vaporization: 53.37 kJ/mol; (19)Boiling Point: 314.6 °C at 760 mmHg; (20)Vapour Pressure: 0.00085 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(C)c(I)cc1[N+]([O-])=O
(2)InChI: InChI=1/C8H8INO2/c1-5-3-6(2)8(10(11)12)4-7(5)9/h3-4H,1-2H3
(3)InChIKey: NDZIFBPJALJOPR-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C8H8INO2/c1-5-3-6(2)8(10(11)12)4-7(5)9/h3-4H,1-2H3
(5)Std. InChIKey: NDZIFBPJALJOPR-UHFFFAOYSA-N